| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
D |
70 |
17 |
2961 |
◊ |
B |
x,y,z |
1_555 |
64 |
17 |
2881 |
624.6 |
-9.6 |
0.734 |
10 |
0 |
0 |
1.000 |
2 |
|
H |
65 |
17 |
2951 |
◊ |
F |
x,y,z |
1_555 |
67 |
17 |
2861 |
624.4 |
-9.2 |
0.710 |
10 |
0 |
0 |
1.000 |
3 |
|
L |
69 |
17 |
2942 |
◊ |
J |
x,y,z |
1_555 |
66 |
17 |
2867 |
616.8 |
-8.1 |
0.809 |
10 |
0 |
0 |
1.000 |
4 |
|
6 |
70 |
17 |
2962 |
◊ |
4 |
x,y,z |
1_555 |
64 |
17 |
2849 |
611.6 |
-8.7 |
0.751 |
9 |
0 |
0 |
1.000 |
5 |
|
T |
66 |
17 |
2929 |
◊ |
R |
x,y,z |
1_555 |
66 |
17 |
2793 |
608.0 |
-8.7 |
0.782 |
9 |
0 |
0 |
1.000 |
6 |
|
X |
68 |
17 |
2939 |
◊ |
V |
x,y,z |
1_555 |
65 |
17 |
2810 |
604.1 |
-8.5 |
0.785 |
9 |
0 |
0 |
1.000 |
7 |
|
Z |
63 |
17 |
2821 |
◊ |
2 |
x,y,z |
1_555 |
67 |
17 |
2911 |
600.4 |
-8.7 |
0.780 |
8 |
0 |
0 |
1.000 |
8 |
|
P |
67 |
17 |
2898 |
◊ |
N |
x,y,z |
1_555 |
64 |
17 |
2827 |
591.8 |
-8.8 |
0.770 |
9 |
0 |
0 |
1.000 |
| Average: |
610.2 |
-8.8 |
0.765 |
9 |
0 |
0 |
1.000 |
| 2 |
9 |
|
X |
59 |
15 |
2939 |
◊ |
W |
x,y,z |
1_555 |
55 |
13 |
2042 |
575.2 |
-10.7 |
0.400 |
7 |
1 |
2 |
1.000 |
10 |
|
N |
58 |
16 |
2827 |
◊ |
M |
x,y,z |
1_555 |
53 |
12 |
2105 |
558.8 |
-13.2 |
0.238 |
9 |
2 |
2 |
1.000 |
11 |
|
2 |
55 |
15 |
2911 |
◊ |
1 |
x,y,z |
1_555 |
54 |
13 |
2018 |
554.9 |
-10.6 |
0.432 |
9 |
1 |
2 |
1.000 |
12 |
|
H |
62 |
16 |
2951 |
◊ |
G |
x,y,z |
1_555 |
51 |
14 |
2086 |
551.3 |
-11.5 |
0.303 |
6 |
1 |
2 |
1.000 |
13 |
|
J |
53 |
15 |
2867 |
◊ |
I |
x,y,z |
1_555 |
51 |
12 |
2098 |
551.0 |
-12.1 |
0.261 |
7 |
2 |
2 |
1.000 |
14 |
|
Z |
54 |
15 |
2821 |
◊ |
Y |
x,y,z |
1_555 |
55 |
13 |
2073 |
548.9 |
-12.5 |
0.282 |
6 |
2 |
2 |
1.000 |
15 |
|
6 |
59 |
17 |
2962 |
◊ |
5 |
x,y,z |
1_555 |
49 |
12 |
2075 |
548.8 |
-12.0 |
0.260 |
5 |
1 |
2 |
1.000 |
16 |
|
V |
56 |
15 |
2810 |
◊ |
U |
x,y,z |
1_555 |
56 |
12 |
2100 |
544.4 |
-12.4 |
0.290 |
8 |
2 |
2 |
1.000 |
17 |
|
P |
54 |
15 |
2898 |
◊ |
O |
x,y,z |
1_555 |
54 |
12 |
2029 |
544.1 |
-10.0 |
0.416 |
9 |
1 |
2 |
1.000 |
18 |
|
L |
63 |
17 |
2942 |
◊ |
K |
x,y,z |
1_555 |
47 |
11 |
2090 |
541.6 |
-12.1 |
0.254 |
5 |
1 |
2 |
1.000 |
19 |
|
D |
58 |
16 |
2961 |
◊ |
C |
x,y,z |
1_555 |
49 |
12 |
2069 |
539.6 |
-12.2 |
0.247 |
5 |
1 |
2 |
1.000 |
20 |
|
R |
55 |
15 |
2793 |
◊ |
Q |
x,y,z |
1_555 |
53 |
12 |
2116 |
538.1 |
-12.5 |
0.271 |
9 |
2 |
2 |
1.000 |
21 |
|
B |
58 |
15 |
2881 |
◊ |
A |
x,y,z |
1_555 |
51 |
12 |
2067 |
530.8 |
-11.3 |
0.313 |
8 |
2 |
2 |
1.000 |
22 |
|
4 |
55 |
15 |
2849 |
◊ |
3 |
x,y,z |
1_555 |
49 |
12 |
2045 |
529.5 |
-10.8 |
0.259 |
8 |
2 |
2 |
1.000 |
23 |
|
T |
56 |
15 |
2929 |
◊ |
S |
x,y,z |
1_555 |
50 |
12 |
2007 |
521.4 |
-10.1 |
0.384 |
7 |
1 |
2 |
1.000 |
24 |
|
F |
52 |
15 |
2861 |
◊ |
E |
x,y,z |
1_555 |
50 |
12 |
2065 |
519.6 |
-11.9 |
0.232 |
6 |
2 |
2 |
1.000 |
| Average: |
543.6 |
-11.6 |
0.303 |
7 |
2 |
2 |
1.000 |
| 3 |
25 |
|
I |
23 |
5 |
2098 |
◊ |
S |
-x+y+2/3,-x+1/3,z-2/3 |
6_554 |
21 |
6 |
2007 |
191.9 |
-0.3 |
0.851 |
4 |
2 |
0 |
0.000 |
26 |
|
E |
20 |
5 |
2065 |
◊ |
W |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
18 |
5 |
2042 |
184.8 |
-0.2 |
0.826 |
4 |
2 |
0 |
0.000 |
27 |
|
O |
22 |
5 |
2029 |
◊ |
3 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
22 |
5 |
2045 |
178.2 |
-0.7 |
0.823 |
2 |
1 |
0 |
0.000 |
28 |
|
1 |
20 |
5 |
2018 |
◊ |
A |
-y,x-y,z |
2_555 |
22 |
6 |
2067 |
176.1 |
-0.6 |
0.834 |
2 |
1 |
0 |
0.000 |
| Average: |
182.8 |
-0.4 |
0.834 |
3 |
2 |
0 |
0.000 |
| 4 |
29 |
|
X |
19 |
7 |
2939 |
x |
P |
x,y,z |
1_555 |
21 |
5 |
2898 |
178.3 |
-3.9 |
0.380 |
0 |
0 |
0 |
0.174 |
30 |
|
T |
21 |
5 |
2929 |
x |
P |
x,y,z |
1_555 |
20 |
7 |
2898 |
167.0 |
-4.0 |
0.395 |
0 |
0 |
0 |
0.174 |
31 |
|
Z |
22 |
8 |
2821 |
x |
Z |
-y,x-y,z |
2_555 |
23 |
7 |
2821 |
165.7 |
-3.0 |
0.587 |
0 |
0 |
0 |
0.174 |
32 |
|
F |
22 |
8 |
2861 |
x |
B |
x,y,z |
1_555 |
21 |
6 |
2881 |
164.3 |
-3.1 |
0.536 |
0 |
0 |
0 |
0.174 |
33 |
|
L |
18 |
6 |
2942 |
x |
D |
x,y,z |
1_555 |
21 |
6 |
2961 |
164.2 |
-3.6 |
0.388 |
0 |
0 |
0 |
0.174 |
34 |
|
V |
24 |
7 |
2810 |
x |
N |
x,y,z |
1_555 |
21 |
8 |
2827 |
163.6 |
-3.0 |
0.572 |
0 |
0 |
0 |
0.174 |
35 |
|
R |
20 |
8 |
2793 |
x |
N |
x,y,z |
1_555 |
24 |
7 |
2827 |
162.7 |
-3.1 |
0.545 |
0 |
0 |
0 |
0.174 |
36 |
|
H |
22 |
6 |
2951 |
x |
D |
x,y,z |
1_555 |
19 |
6 |
2961 |
162.7 |
-3.7 |
0.392 |
0 |
0 |
0 |
0.174 |
37 |
|
6 |
22 |
6 |
2962 |
x |
6 |
-y,x-y,z |
2_555 |
19 |
7 |
2962 |
161.8 |
-3.8 |
0.396 |
0 |
0 |
0 |
0.174 |
38 |
|
L |
23 |
6 |
2942 |
x |
H |
x,y,z |
1_555 |
20 |
7 |
2951 |
161.7 |
-3.8 |
0.403 |
0 |
0 |
0 |
0.174 |
39 |
|
V |
22 |
8 |
2810 |
x |
R |
x,y,z |
1_555 |
22 |
7 |
2793 |
160.8 |
-3.0 |
0.569 |
0 |
0 |
0 |
0.174 |
40 |
|
J |
22 |
8 |
2867 |
x |
F |
x,y,z |
1_555 |
24 |
6 |
2861 |
160.7 |
-3.4 |
0.550 |
0 |
0 |
0 |
0.174 |
41 |
|
4 |
20 |
8 |
2849 |
x |
4 |
-y,x-y,z |
2_555 |
20 |
6 |
2849 |
156.8 |
-3.2 |
0.469 |
0 |
0 |
0 |
0.174 |
42 |
|
2 |
17 |
4 |
2911 |
x |
2 |
-y,x-y,z |
2_555 |
14 |
6 |
2911 |
134.4 |
-2.6 |
0.478 |
0 |
0 |
0 |
0.174 |
43 |
|
X |
14 |
4 |
2939 |
x |
T |
x,y,z |
1_555 |
11 |
4 |
2929 |
107.5 |
-2.9 |
0.332 |
0 |
0 |
0 |
0.174 |
44 |
|
J |
14 |
5 |
2867 |
x |
B |
x,y,z |
1_555 |
13 |
6 |
2881 |
105.9 |
-2.0 |
0.534 |
0 |
0 |
0 |
0.174 |
| Average: |
154.9 |
-3.3 |
0.470 |
0 |
0 |
0 |
0.174 |
| 5 |
45 |
|
K |
19 |
4 |
2090 |
◊ |
Y |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
21 |
6 |
2073 |
176.8 |
-0.6 |
0.803 |
2 |
2 |
0 |
0.000 |
46 |
|
5 |
17 |
4 |
2075 |
◊ |
Q |
-y,x-y,z |
2_555 |
20 |
6 |
2116 |
175.2 |
-0.4 |
0.807 |
3 |
2 |
0 |
0.000 |
47 |
|
U |
21 |
6 |
2100 |
◊ |
G |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
18 |
4 |
2086 |
174.8 |
-0.3 |
0.826 |
2 |
2 |
0 |
0.000 |
48 |
|
M |
20 |
6 |
2105 |
◊ |
C |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
17 |
4 |
2069 |
170.7 |
-0.2 |
0.810 |
4 |
2 |
0 |
0.000 |
| Average: |
174.4 |
-0.4 |
0.812 |
3 |
2 |
0 |
0.000 |
| 6 |
49 |
|
D |
17 |
3 |
2961 |
◊ |
G |
x,y,z |
1_555 |
16 |
6 |
2086 |
147.7 |
-2.1 |
0.611 |
2 |
0 |
0 |
0.021 |
| 7 |
50 |
|
5 |
15 |
6 |
2075 |
◊ |
6 |
-y,x-y,z |
2_555 |
17 |
3 |
2962 |
146.0 |
-2.4 |
0.550 |
2 |
0 |
0 |
0.069 |
51 |
|
L |
17 |
3 |
2942 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
2069 |
145.0 |
-2.4 |
0.569 |
2 |
0 |
0 |
0.069 |
52 |
|
H |
17 |
3 |
2951 |
◊ |
K |
x,y,z |
1_555 |
17 |
6 |
2090 |
144.1 |
-2.3 |
0.560 |
2 |
0 |
0 |
0.069 |
53 |
|
J |
17 |
3 |
2867 |
◊ |
E |
x,y,z |
1_555 |
15 |
5 |
2065 |
141.2 |
-2.6 |
0.521 |
1 |
0 |
0 |
0.069 |
54 |
|
X |
15 |
3 |
2939 |
◊ |
O |
x,y,z |
1_555 |
16 |
6 |
2029 |
140.3 |
-2.7 |
0.506 |
2 |
0 |
0 |
0.069 |
55 |
|
R |
16 |
3 |
2793 |
◊ |
M |
x,y,z |
1_555 |
15 |
5 |
2105 |
140.1 |
-2.4 |
0.536 |
2 |
0 |
0 |
0.069 |
56 |
|
N |
17 |
3 |
2827 |
◊ |
U |
x,y,z |
1_555 |
15 |
5 |
2100 |
139.4 |
-2.5 |
0.550 |
2 |
0 |
0 |
0.069 |
57 |
|
Z |
17 |
3 |
2821 |
◊ |
Y |
-y,x-y,z |
2_555 |
15 |
5 |
2073 |
139.3 |
-2.4 |
0.564 |
2 |
0 |
0 |
0.069 |
58 |
|
V |
16 |
3 |
2810 |
◊ |
Q |
x,y,z |
1_555 |
15 |
5 |
2116 |
137.4 |
-2.4 |
0.540 |
2 |
0 |
0 |
0.069 |
59 |
|
P |
16 |
3 |
2898 |
◊ |
S |
x,y,z |
1_555 |
15 |
6 |
2007 |
137.2 |
-2.9 |
0.462 |
1 |
0 |
0 |
0.069 |
60 |
|
F |
18 |
3 |
2861 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
2067 |
126.8 |
-2.4 |
0.545 |
1 |
0 |
0 |
0.069 |
61 |
|
4 |
18 |
3 |
2849 |
◊ |
3 |
-y,x-y,z |
2_555 |
14 |
5 |
2045 |
126.8 |
-2.3 |
0.531 |
1 |
0 |
0 |
0.069 |
62 |
|
T |
15 |
3 |
2929 |
◊ |
W |
x,y,z |
1_555 |
14 |
6 |
2042 |
114.2 |
-2.6 |
0.498 |
0 |
0 |
0 |
0.069 |
63 |
|
1 |
14 |
6 |
2018 |
◊ |
2 |
-y,x-y,z |
2_555 |
14 |
3 |
2911 |
110.0 |
-2.2 |
0.570 |
0 |
0 |
0 |
0.069 |
64 |
|
B |
15 |
3 |
2881 |
◊ |
I |
x,y,z |
1_555 |
15 |
6 |
2098 |
108.6 |
-2.6 |
0.499 |
0 |
0 |
0 |
0.069 |
| Average: |
133.1 |
-2.5 |
0.533 |
1 |
0 |
0 |
0.069 |
| 8 |
65 |
|
O |
16 |
5 |
2029 |
◊ |
4 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
15 |
3 |
2849 |
134.2 |
-1.3 |
0.579 |
0 |
0 |
0 |
0.000 |
66 |
|
F |
15 |
3 |
2861 |
◊ |
W |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
15 |
5 |
2042 |
131.1 |
-0.8 |
0.655 |
1 |
0 |
0 |
0.000 |
67 |
|
1 |
15 |
5 |
2018 |
◊ |
B |
-y,x-y,z |
2_555 |
11 |
2 |
2881 |
122.0 |
-1.1 |
0.524 |
1 |
0 |
0 |
0.000 |
68 |
|
J |
11 |
2 |
2867 |
◊ |
S |
-x+y+2/3,-x+1/3,z-2/3 |
6_554 |
14 |
4 |
2007 |
117.5 |
-1.1 |
0.545 |
1 |
0 |
0 |
0.000 |
| Average: |
126.2 |
-1.1 |
0.576 |
1 |
0 |
0 |
0.000 |
| 9 |
69 |
|
B |
14 |
3 |
2881 |
◊ |
T |
x,y,z-1 |
1_554 |
13 |
3 |
2929 |
122.5 |
0.1 |
0.859 |
0 |
0 |
0 |
0.000 |
| 10 |
70 |
|
L |
15 |
5 |
2942 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
2861 |
104.1 |
-2.6 |
0.411 |
0 |
0 |
0 |
0.050 |
71 |
|
J |
10 |
5 |
2867 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
2961 |
103.3 |
-2.7 |
0.386 |
0 |
0 |
0 |
0.050 |
72 |
|
6 |
13 |
4 |
2962 |
◊ |
4 |
-y,x-y,z |
2_555 |
10 |
5 |
2849 |
102.7 |
-2.7 |
0.351 |
0 |
0 |
0 |
0.050 |
73 |
|
H |
14 |
4 |
2951 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
2881 |
102.2 |
-2.6 |
0.387 |
0 |
0 |
0 |
0.050 |
74 |
|
V |
14 |
5 |
2810 |
◊ |
P |
x,y,z |
1_555 |
12 |
4 |
2898 |
101.8 |
-2.4 |
0.502 |
0 |
0 |
0 |
0.050 |
75 |
|
T |
10 |
4 |
2929 |
◊ |
N |
x,y,z |
1_555 |
14 |
4 |
2827 |
101.7 |
-2.4 |
0.416 |
0 |
0 |
0 |
0.050 |
76 |
|
X |
12 |
5 |
2939 |
◊ |
R |
x,y,z |
1_555 |
13 |
5 |
2793 |
101.0 |
-2.4 |
0.471 |
0 |
0 |
0 |
0.050 |
77 |
|
2 |
12 |
5 |
2911 |
◊ |
Z |
-y,x-y,z |
2_555 |
13 |
5 |
2821 |
98.2 |
-2.3 |
0.513 |
0 |
0 |
0 |
0.050 |
| Average: |
101.9 |
-2.5 |
0.430 |
0 |
0 |
0 |
0.050 |
| 11 |
78 |
|
K |
12 |
3 |
2090 |
◊ |
Z |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
10 |
2 |
2821 |
103.1 |
-1.1 |
0.542 |
1 |
0 |
0 |
0.000 |
79 |
|
V |
10 |
2 |
2810 |
◊ |
G |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
12 |
3 |
2086 |
102.5 |
-1.0 |
0.550 |
1 |
0 |
0 |
0.000 |
80 |
|
5 |
12 |
3 |
2075 |
◊ |
R |
-y,x-y,z |
2_555 |
10 |
2 |
2793 |
100.9 |
-1.1 |
0.540 |
1 |
0 |
0 |
0.000 |
81 |
|
N |
10 |
2 |
2827 |
◊ |
C |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
12 |
3 |
2069 |
99.7 |
-1.1 |
0.541 |
1 |
0 |
0 |
0.000 |
| Average: |
101.6 |
-1.1 |
0.543 |
1 |
0 |
0 |
0.000 |
| 12 |
82 |
|
2 |
8 |
2 |
2911 |
◊ |
3 |
x,y,z |
1_555 |
15 |
4 |
2045 |
95.2 |
-2.0 |
0.394 |
0 |
0 |
0 |
0.000 |
83 |
|
A |
13 |
4 |
2067 |
◊ |
T |
x,y,z-1 |
1_554 |
7 |
1 |
2929 |
86.8 |
-1.9 |
0.345 |
0 |
0 |
0 |
0.000 |
84 |
|
B |
6 |
1 |
2881 |
◊ |
S |
x,y,z-1 |
1_554 |
13 |
4 |
2007 |
75.0 |
-2.1 |
0.329 |
0 |
0 |
0 |
0.000 |
| Average: |
85.6 |
-2.0 |
0.356 |
0 |
0 |
0 |
0.000 |
| 13 |
85 |
|
J |
9 |
2 |
2867 |
◊ |
X |
x,y,z-1 |
1_554 |
10 |
2 |
2939 |
91.2 |
0.8 |
0.885 |
4 |
0 |
0 |
0.000 |
| 14 |
86 |
|
4 |
9 |
2 |
2849 |
◊ |
2 |
-y,x-y,z |
2_555 |
10 |
3 |
2911 |
89.6 |
-0.7 |
0.704 |
0 |
0 |
0 |
0.000 |
87 |
|
B |
14 |
3 |
2881 |
◊ |
P |
x,y,z-1 |
1_554 |
5 |
1 |
2898 |
64.0 |
-1.4 |
0.561 |
0 |
0 |
0 |
0.000 |
88 |
|
F |
5 |
1 |
2861 |
◊ |
T |
x,y,z-1 |
1_554 |
11 |
3 |
2929 |
63.6 |
-1.3 |
0.519 |
0 |
0 |
0 |
0.000 |
| Average: |
72.4 |
-1.1 |
0.595 |
0 |
0 |
0 |
0.000 |
| 15 |
89 |
|
Z |
10 |
3 |
2821 |
◊ |
6 |
-y,x-y,z-1 |
2_554 |
10 |
2 |
2962 |
88.6 |
0.4 |
0.855 |
4 |
0 |
0 |
0.000 |
90 |
|
V |
11 |
3 |
2810 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
2961 |
87.3 |
0.4 |
0.859 |
4 |
0 |
0 |
0.000 |
91 |
|
R |
9 |
2 |
2793 |
◊ |
L |
x,y,z |
1_555 |
11 |
3 |
2942 |
86.2 |
0.4 |
0.855 |
2 |
0 |
0 |
0.000 |
92 |
|
N |
10 |
3 |
2827 |
◊ |
H |
x,y,z |
1_555 |
10 |
2 |
2951 |
85.9 |
0.5 |
0.856 |
2 |
0 |
0 |
0.000 |
| Average: |
87.0 |
0.4 |
0.856 |
3 |
0 |
0 |
0.000 |
| 16 |
93 |
|
[CRS]M:101 |
6 |
1 |
257 |
◊ |
M |
x,y,z |
1_555 |
13 |
6 |
2105 |
84.7 |
1.9 |
0.257 |
2 |
0 |
0 |
0.000 |
94 |
|
[CRS]O:101 |
8 |
1 |
258 |
◊ |
O |
x,y,z |
1_555 |
14 |
6 |
2029 |
82.6 |
1.9 |
0.035 |
2 |
0 |
0 |
0.000 |
95 |
|
[CRS]I:101 |
8 |
1 |
260 |
◊ |
I |
x,y,z |
1_555 |
13 |
6 |
2098 |
82.4 |
1.9 |
0.029 |
2 |
0 |
0 |
0.000 |
96 |
|
[CRS]1:101 |
7 |
1 |
261 |
◊ |
1 |
x,y,z |
1_555 |
13 |
6 |
2018 |
82.3 |
1.8 |
0.084 |
2 |
0 |
0 |
0.000 |
97 |
|
[CRS]E:101 |
7 |
1 |
261 |
◊ |
E |
x,y,z |
1_555 |
13 |
6 |
2065 |
82.2 |
1.9 |
0.080 |
2 |
0 |
0 |
0.000 |
98 |
|
[CRS]3:101 |
8 |
1 |
261 |
◊ |
3 |
x,y,z |
1_555 |
13 |
6 |
2045 |
81.5 |
1.9 |
0.032 |
2 |
0 |
0 |
0.000 |
99 |
|
[CRS]W:101 |
7 |
1 |
258 |
◊ |
W |
x,y,z |
1_555 |
13 |
6 |
2042 |
81.3 |
1.8 |
0.082 |
2 |
0 |
0 |
0.000 |
100 |
|
[CRS]K:101 |
8 |
1 |
262 |
◊ |
K |
x,y,z |
1_555 |
14 |
6 |
2090 |
81.1 |
1.8 |
0.034 |
2 |
0 |
0 |
0.000 |
101 |
|
[CRS]G:101 |
8 |
1 |
262 |
◊ |
G |
x,y,z |
1_555 |
13 |
6 |
2086 |
80.8 |
1.8 |
0.034 |
2 |
0 |
0 |
0.000 |
102 |
|
[CRS]C:101 |
8 |
1 |
262 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
2069 |
80.7 |
1.9 |
0.034 |
2 |
0 |
0 |
0.000 |
103 |
|
[CRS]Q:101 |
8 |
1 |
262 |
◊ |
Q |
x,y,z |
1_555 |
14 |
6 |
2116 |
80.5 |
1.8 |
0.030 |
2 |
0 |
0 |
0.000 |
104 |
|
[CRS]5:101 |
8 |
1 |
258 |
◊ |
5 |
x,y,z |
1_555 |
13 |
6 |
2075 |
80.4 |
1.8 |
0.034 |
2 |
0 |
0 |
0.000 |
105 |
|
[CRS]U:101 |
6 |
1 |
260 |
◊ |
U |
x,y,z |
1_555 |
14 |
6 |
2100 |
80.3 |
1.8 |
0.155 |
2 |
0 |
0 |
0.000 |
106 |
|
[CRS]A:101 |
7 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
2067 |
79.7 |
1.9 |
0.068 |
2 |
0 |
0 |
0.000 |
107 |
|
[CRS]S:101 |
8 |
1 |
260 |
◊ |
S |
x,y,z |
1_555 |
14 |
6 |
2007 |
79.0 |
2.0 |
0.035 |
2 |
0 |
0 |
0.000 |
| Average: |
81.3 |
1.9 |
0.068 |
2 |
0 |
0 |
0.000 |
| 17 |
108 |
|
[CRS]Y:101 |
8 |
1 |
261 |
◊ |
Y |
x,y,z |
1_555 |
14 |
6 |
2073 |
81.1 |
1.8 |
0.034 |
2 |
0 |
0 |
0.000 |
| 18 |
109 |
|
N |
8 |
2 |
2827 |
◊ |
S |
x,y,z |
1_555 |
5 |
3 |
2007 |
74.1 |
-2.1 |
0.247 |
0 |
0 |
0 |
0.034 |
110 |
|
D |
8 |
2 |
2961 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
2098 |
72.9 |
-2.1 |
0.198 |
0 |
0 |
0 |
0.034 |
111 |
|
H |
8 |
2 |
2951 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
2067 |
69.1 |
-1.9 |
0.222 |
0 |
0 |
0 |
0.034 |
112 |
|
L |
8 |
2 |
2942 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
2065 |
66.5 |
-1.9 |
0.228 |
0 |
0 |
0 |
0.034 |
113 |
|
R |
9 |
2 |
2793 |
◊ |
W |
x,y,z |
1_555 |
4 |
2 |
2042 |
64.0 |
-1.8 |
0.277 |
0 |
0 |
0 |
0.034 |
114 |
|
X |
9 |
2 |
2939 |
◊ |
Q |
x,y,z |
1_555 |
4 |
2 |
2116 |
63.7 |
-1.7 |
0.285 |
0 |
0 |
0 |
0.034 |
115 |
|
1 |
4 |
2 |
2018 |
◊ |
Z |
-y,x-y,z |
2_555 |
9 |
2 |
2821 |
63.1 |
-1.7 |
0.289 |
0 |
0 |
0 |
0.034 |
116 |
|
2 |
9 |
2 |
2911 |
◊ |
Y |
-y,x-y,z |
2_555 |
4 |
2 |
2073 |
62.2 |
-1.7 |
0.297 |
0 |
0 |
0 |
0.034 |
117 |
|
6 |
8 |
2 |
2962 |
◊ |
3 |
-y,x-y,z |
2_555 |
4 |
2 |
2045 |
62.1 |
-1.8 |
0.249 |
0 |
0 |
0 |
0.034 |
118 |
|
B |
7 |
2 |
2881 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
2086 |
60.4 |
-1.7 |
0.296 |
0 |
0 |
0 |
0.034 |
119 |
|
5 |
4 |
2 |
2075 |
◊ |
4 |
-y,x-y,z |
2_555 |
7 |
2 |
2849 |
60.3 |
-1.7 |
0.242 |
0 |
0 |
0 |
0.034 |
120 |
|
P |
9 |
2 |
2898 |
◊ |
U |
x,y,z |
1_555 |
4 |
2 |
2100 |
58.9 |
-1.6 |
0.316 |
0 |
0 |
0 |
0.034 |
121 |
|
V |
9 |
2 |
2810 |
◊ |
O |
x,y,z |
1_555 |
4 |
2 |
2029 |
58.1 |
-1.5 |
0.329 |
0 |
0 |
0 |
0.034 |
122 |
|
F |
7 |
2 |
2861 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
2090 |
58.0 |
-1.6 |
0.215 |
0 |
0 |
0 |
0.034 |
123 |
|
J |
9 |
2 |
2867 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
2069 |
57.7 |
-1.5 |
0.299 |
0 |
0 |
0 |
0.034 |
124 |
|
T |
9 |
2 |
2929 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
2105 |
56.6 |
-1.5 |
0.241 |
0 |
0 |
0 |
0.034 |
| Average: |
63.0 |
-1.7 |
0.264 |
0 |
0 |
0 |
0.034 |
| 19 |
125 |
|
[CRS]W:101 |
8 |
1 |
258 |
◊ |
X |
x,y,z |
1_555 |
10 |
4 |
2939 |
73.0 |
1.3 |
0.033 |
0 |
0 |
0 |
0.000 |
126 |
|
[CRS]G:101 |
8 |
1 |
262 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
2951 |
73.0 |
1.4 |
0.035 |
0 |
0 |
0 |
0.000 |
127 |
|
[CRS]C:101 |
8 |
1 |
262 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
2961 |
72.7 |
1.5 |
0.037 |
0 |
0 |
0 |
0.000 |
128 |
|
[CRS]1:101 |
8 |
1 |
261 |
◊ |
2 |
x,y,z |
1_555 |
7 |
4 |
2911 |
72.6 |
1.3 |
0.017 |
0 |
0 |
0 |
0.000 |
129 |
|
[CRS]I:101 |
8 |
1 |
260 |
◊ |
J |
x,y,z |
1_555 |
11 |
4 |
2867 |
72.5 |
1.3 |
0.030 |
0 |
0 |
0 |
0.000 |
130 |
|
[CRS]K:101 |
8 |
1 |
262 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
2942 |
72.4 |
1.4 |
0.036 |
0 |
0 |
0 |
0.000 |
131 |
|
[CRS]5:101 |
8 |
1 |
258 |
◊ |
6 |
x,y,z |
1_555 |
10 |
4 |
2962 |
71.6 |
1.4 |
0.034 |
0 |
0 |
0 |
0.000 |
132 |
|
[CRS]U:101 |
8 |
1 |
260 |
◊ |
V |
x,y,z |
1_555 |
9 |
4 |
2810 |
70.6 |
1.3 |
0.019 |
0 |
0 |
0 |
0.000 |
133 |
|
[CRS]Q:101 |
8 |
1 |
262 |
◊ |
R |
x,y,z |
1_555 |
10 |
4 |
2793 |
69.9 |
1.4 |
0.022 |
0 |
0 |
0 |
0.000 |
134 |
|
[CRS]E:101 |
8 |
1 |
261 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
2861 |
69.8 |
1.3 |
0.021 |
0 |
0 |
0 |
0.000 |
135 |
|
[CRS]O:101 |
8 |
1 |
258 |
◊ |
P |
x,y,z |
1_555 |
11 |
4 |
2898 |
69.8 |
1.3 |
0.025 |
0 |
0 |
0 |
0.000 |
136 |
|
[CRS]Y:101 |
8 |
1 |
261 |
◊ |
Z |
x,y,z |
1_555 |
10 |
4 |
2821 |
69.6 |
1.3 |
0.024 |
0 |
0 |
0 |
0.000 |
137 |
|
[CRS]S:101 |
8 |
1 |
260 |
◊ |
T |
x,y,z |
1_555 |
8 |
4 |
2929 |
69.4 |
1.2 |
0.013 |
0 |
0 |
0 |
0.000 |
138 |
|
[CRS]M:101 |
8 |
1 |
257 |
◊ |
N |
x,y,z |
1_555 |
8 |
4 |
2827 |
68.7 |
1.3 |
0.024 |
0 |
0 |
0 |
0.000 |
| Average: |
71.1 |
1.3 |
0.026 |
0 |
0 |
0 |
0.000 |
| 20 |
139 |
|
[CRS]A:101 |
8 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
2881 |
70.3 |
1.2 |
0.019 |
0 |
0 |
0 |
0.000 |
140 |
|
[CRS]3:101 |
8 |
1 |
261 |
◊ |
4 |
x,y,z |
1_555 |
11 |
4 |
2849 |
69.2 |
1.2 |
0.015 |
0 |
0 |
0 |
0.000 |
| Average: |
69.7 |
1.2 |
0.017 |
0 |
0 |
0 |
0.000 |
| 21 |
141 |
|
[CRS]C:101 |
8 |
1 |
262 |
◊ |
L |
x,y,z |
1_555 |
5 |
3 |
2942 |
67.1 |
1.0 |
0.004 |
0 |
0 |
0 |
0.000 |
142 |
|
[CRS]K:101 |
8 |
1 |
262 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
2951 |
66.6 |
0.9 |
0.008 |
0 |
0 |
0 |
0.000 |
143 |
|
Z |
8 |
3 |
2821 |
◊ |
[CRS]Y:101 |
-y,x-y,z |
2_555 |
8 |
1 |
261 |
66.5 |
1.3 |
0.007 |
0 |
0 |
0 |
0.000 |
144 |
|
[CRS]Q:101 |
8 |
1 |
262 |
◊ |
V |
x,y,z |
1_555 |
8 |
3 |
2810 |
66.4 |
1.4 |
0.007 |
0 |
0 |
0 |
0.000 |
145 |
|
[CRS]G:101 |
8 |
1 |
262 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
2961 |
66.2 |
1.0 |
0.004 |
0 |
0 |
0 |
0.000 |
146 |
|
[CRS]5:101 |
8 |
1 |
258 |
◊ |
6 |
-y,x-y,z |
2_555 |
5 |
3 |
2962 |
65.4 |
0.9 |
0.004 |
0 |
0 |
0 |
0.000 |
147 |
|
[CRS]M:101 |
8 |
1 |
257 |
◊ |
R |
x,y,z |
1_555 |
9 |
3 |
2793 |
64.3 |
1.3 |
0.007 |
0 |
0 |
0 |
0.000 |
148 |
|
[CRS]I:101 |
8 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
2881 |
64.0 |
0.7 |
0.006 |
0 |
0 |
0 |
0.000 |
149 |
|
[CRS]W:101 |
8 |
1 |
258 |
◊ |
T |
x,y,z |
1_555 |
8 |
3 |
2929 |
63.3 |
0.7 |
0.002 |
0 |
0 |
0 |
0.000 |
150 |
|
[CRS]O:101 |
8 |
1 |
258 |
◊ |
X |
x,y,z |
1_555 |
6 |
3 |
2939 |
62.3 |
0.9 |
0.002 |
0 |
0 |
0 |
0.000 |
| Average: |
65.2 |
1.0 |
0.005 |
0 |
0 |
0 |
0.000 |
| 22 |
151 |
|
[CRS]U:101 |
8 |
1 |
260 |
◊ |
N |
x,y,z |
1_555 |
10 |
3 |
2827 |
65.6 |
1.3 |
0.007 |
0 |
0 |
0 |
0.000 |
152 |
|
4 |
9 |
3 |
2849 |
◊ |
[CRS]3:101 |
-y,x-y,z |
2_555 |
8 |
1 |
261 |
61.6 |
0.9 |
0.005 |
0 |
0 |
0 |
0.000 |
153 |
|
[CRS]1:101 |
8 |
1 |
261 |
◊ |
2 |
-y,x-y,z |
2_555 |
6 |
3 |
2911 |
60.2 |
0.8 |
0.002 |
0 |
0 |
0 |
0.000 |
| Average: |
62.5 |
1.0 |
0.005 |
0 |
0 |
0 |
0.000 |
| 23 |
154 |
|
H |
5 |
2 |
2951 |
◊ |
W |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
10 |
3 |
2042 |
65.4 |
-0.5 |
0.471 |
0 |
0 |
0 |
0.000 |
155 |
|
O |
9 |
4 |
2029 |
◊ |
6 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
4 |
2 |
2962 |
57.3 |
-0.6 |
0.439 |
0 |
0 |
0 |
0.000 |
156 |
|
1 |
12 |
4 |
2018 |
◊ |
D |
-y,x-y,z |
2_555 |
3 |
1 |
2961 |
54.3 |
-0.7 |
0.351 |
0 |
0 |
0 |
0.000 |
157 |
|
L |
3 |
1 |
2942 |
◊ |
S |
-x+y+2/3,-x+1/3,z-2/3 |
6_554 |
8 |
2 |
2007 |
48.0 |
-0.6 |
0.392 |
0 |
0 |
0 |
0.000 |
| Average: |
56.3 |
-0.6 |
0.413 |
0 |
0 |
0 |
0.000 |
| 24 |
158 |
|
[CRS]E:101 |
8 |
1 |
261 |
◊ |
J |
x,y,z |
1_555 |
9 |
3 |
2867 |
64.2 |
1.2 |
0.007 |
0 |
0 |
0 |
0.000 |
159 |
|
[CRS]A:101 |
8 |
1 |
260 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
2861 |
59.8 |
0.9 |
0.005 |
0 |
0 |
0 |
0.000 |
| Average: |
62.0 |
1.1 |
0.006 |
0 |
0 |
0 |
0.000 |
| 25 |
160 |
|
[CRS]S:101 |
8 |
1 |
260 |
◊ |
P |
x,y,z |
1_555 |
8 |
3 |
2898 |
63.0 |
0.8 |
0.005 |
0 |
0 |
0 |
0.000 |
| 26 |
161 |
|
D |
10 |
3 |
2961 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
2067 |
56.7 |
0.3 |
0.814 |
0 |
0 |
0 |
0.000 |
162 |
|
X |
10 |
4 |
2939 |
◊ |
U |
x,y,z |
1_555 |
3 |
1 |
2100 |
56.4 |
0.6 |
0.856 |
1 |
0 |
0 |
0.000 |
163 |
|
H |
5 |
3 |
2951 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
2065 |
54.9 |
0.2 |
0.667 |
0 |
0 |
0 |
0.000 |
164 |
|
T |
7 |
3 |
2929 |
◊ |
Q |
x,y,z |
1_555 |
3 |
1 |
2116 |
54.6 |
0.4 |
0.789 |
1 |
0 |
0 |
0.000 |
165 |
|
6 |
9 |
3 |
2962 |
◊ |
3 |
x,y,z |
1_555 |
4 |
1 |
2045 |
54.4 |
0.4 |
0.814 |
0 |
0 |
0 |
0.000 |
166 |
|
P |
11 |
4 |
2898 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
2105 |
53.8 |
0.6 |
0.873 |
1 |
0 |
0 |
0.000 |
167 |
|
2 |
8 |
3 |
2911 |
◊ |
Y |
x,y,z |
1_555 |
3 |
1 |
2073 |
52.2 |
0.6 |
0.850 |
2 |
0 |
0 |
0.000 |
168 |
|
L |
7 |
3 |
2942 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
2098 |
46.7 |
0.2 |
0.768 |
0 |
0 |
0 |
0.000 |
169 |
|
N |
5 |
3 |
2827 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
2029 |
21.8 |
0.3 |
0.823 |
0 |
0 |
0 |
0.000 |
170 |
|
V |
4 |
2 |
2810 |
◊ |
W |
x,y,z |
1_555 |
1 |
1 |
2042 |
19.9 |
0.3 |
0.832 |
0 |
0 |
0 |
0.000 |
171 |
|
F |
3 |
2 |
2861 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
2086 |
18.7 |
0.4 |
0.841 |
0 |
0 |
0 |
0.000 |
172 |
|
Z |
4 |
2 |
2821 |
◊ |
1 |
x,y,z |
1_555 |
1 |
1 |
2018 |
18.4 |
0.3 |
0.831 |
0 |
0 |
0 |
0.000 |
173 |
|
R |
7 |
3 |
2793 |
◊ |
S |
x,y,z |
1_555 |
1 |
1 |
2007 |
17.9 |
0.4 |
0.848 |
0 |
0 |
0 |
0.000 |
174 |
|
J |
2 |
2 |
2867 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
2090 |
13.5 |
0.3 |
0.824 |
0 |
0 |
0 |
0.000 |
175 |
|
B |
2 |
2 |
2881 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2069 |
12.4 |
0.3 |
0.823 |
0 |
0 |
0 |
0.000 |
176 |
|
4 |
2 |
2 |
2849 |
◊ |
5 |
x,y,z |
1_555 |
1 |
1 |
2075 |
3.8 |
0.1 |
0.777 |
0 |
0 |
0 |
0.000 |
| Average: |
34.8 |
0.3 |
0.814 |
0 |
0 |
0 |
0.000 |
| 27 |
177 |
|
5 |
6 |
2 |
2075 |
◊ |
T |
-y,x-y,z |
2_555 |
4 |
1 |
2929 |
51.2 |
-0.4 |
0.492 |
0 |
0 |
0 |
0.000 |
178 |
|
K |
6 |
3 |
2090 |
◊ |
2 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
4 |
1 |
2911 |
46.9 |
-0.4 |
0.531 |
0 |
0 |
0 |
0.000 |
179 |
|
P |
4 |
1 |
2898 |
◊ |
C |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
7 |
3 |
2069 |
45.3 |
-0.5 |
0.517 |
0 |
0 |
0 |
0.000 |
180 |
|
X |
3 |
1 |
2939 |
◊ |
G |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
6 |
2 |
2086 |
29.9 |
-0.5 |
0.529 |
0 |
0 |
0 |
0.000 |
| Average: |
43.3 |
-0.4 |
0.518 |
0 |
0 |
0 |
0.000 |
| 28 |
181 |
|
4 |
7 |
2 |
2849 |
◊ |
2 |
x,y,z |
1_555 |
9 |
3 |
2911 |
51.1 |
-0.1 |
0.779 |
0 |
0 |
0 |
0.000 |
182 |
|
J |
4 |
2 |
2867 |
◊ |
P |
x,y,z-1 |
1_554 |
3 |
2 |
2898 |
27.4 |
0.5 |
0.845 |
0 |
0 |
0 |
0.000 |
183 |
|
F |
1 |
1 |
2861 |
◊ |
X |
x,y,z-1 |
1_554 |
4 |
1 |
2939 |
15.9 |
0.1 |
0.778 |
0 |
0 |
0 |
0.000 |
| Average: |
31.5 |
0.2 |
0.801 |
0 |
0 |
0 |
0.000 |
| 29 |
184 |
|
[CL]6:102 |
1 |
1 |
125 |
x |
6 |
x,y,z |
1_555 |
5 |
2 |
2962 |
50.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.198 |
185 |
|
[CL]2:102 |
1 |
1 |
125 |
x |
2 |
x,y,z |
1_555 |
8 |
3 |
2911 |
49.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.198 |
186 |
|
[CL]Z:102 |
1 |
1 |
125 |
x |
Z |
x,y,z |
1_555 |
6 |
2 |
2821 |
47.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.198 |
187 |
|
[CL]4:102 |
1 |
1 |
125 |
x |
4 |
x,y,z |
1_555 |
6 |
2 |
2849 |
47.7 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.198 |
188 |
|
[CL]P:102 |
1 |
1 |
125 |
x |
P |
x,y,z |
1_555 |
6 |
2 |
2898 |
35.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.198 |
189 |
|
[CL]P:102 |
1 |
1 |
125 |
x |
T |
x,y,z |
1_555 |
7 |
3 |
2929 |
34.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.198 |
190 |
|
[CL]D:102 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
5 |
2 |
2961 |
34.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.198 |
191 |
|
[CL]D:102 |
1 |
1 |
125 |
x |
L |
x,y,z |
1_555 |
6 |
2 |
2942 |
34.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.198 |
192 |
|
[CL]D:102 |
1 |
1 |
125 |
x |
H |
x,y,z |
1_555 |
5 |
2 |
2951 |
34.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.198 |
193 |
|
[CL]P:102 |
1 |
1 |
125 |
x |
X |
x,y,z |
1_555 |
6 |
2 |
2939 |
34.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.198 |
194 |
|
[CL]F:101 |
1 |
1 |
125 |
x |
F |
x,y,z |
1_555 |
6 |
2 |
2861 |
33.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.198 |
195 |
|
[CL]F:101 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
7 |
3 |
2881 |
33.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.198 |
196 |
|
[CL]F:101 |
1 |
1 |
125 |
x |
J |
x,y,z |
1_555 |
6 |
2 |
2867 |
33.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.198 |
197 |
|
[CL]N:102 |
1 |
1 |
125 |
x |
R |
x,y,z |
1_555 |
7 |
2 |
2793 |
33.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.198 |
198 |
|
[CL]N:102 |
1 |
1 |
125 |
x |
N |
x,y,z |
1_555 |
5 |
2 |
2827 |
33.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.198 |
199 |
|
[CL]N:102 |
1 |
1 |
125 |
x |
V |
x,y,z |
1_555 |
7 |
2 |
2810 |
32.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.198 |
| Average: |
37.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.198 |
| 30 |
200 |
|
U |
7 |
3 |
2100 |
◊ |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
6 |
1 |
2067 |
50.1 |
0.0 |
0.718 |
0 |
0 |
0 |
0.000 |
201 |
|
M |
5 |
2 |
2105 |
◊ |
I |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
4 |
1 |
2098 |
43.0 |
0.2 |
0.731 |
0 |
0 |
0 |
0.000 |
202 |
|
Q |
5 |
2 |
2116 |
◊ |
3 |
x,y,z |
1_555 |
4 |
1 |
2045 |
42.9 |
0.2 |
0.728 |
0 |
0 |
0 |
0.000 |
203 |
|
E |
4 |
1 |
2065 |
◊ |
Y |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
4 |
1 |
2073 |
42.0 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
| Average: |
44.5 |
0.1 |
0.719 |
0 |
0 |
0 |
0.000 |
| 31 |
204 |
|
G |
4 |
2 |
2086 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
2067 |
48.4 |
-0.8 |
0.493 |
0 |
0 |
0 |
0.009 |
205 |
|
K |
4 |
2 |
2090 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
2065 |
48.3 |
-0.7 |
0.531 |
0 |
0 |
0 |
0.009 |
206 |
|
I |
9 |
3 |
2098 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
2069 |
39.6 |
-0.6 |
0.544 |
0 |
0 |
0 |
0.009 |
207 |
|
S |
3 |
1 |
2007 |
◊ |
M |
x,y,z |
1_555 |
4 |
2 |
2105 |
35.1 |
-1.1 |
0.291 |
0 |
0 |
0 |
0.009 |
208 |
|
5 |
4 |
2 |
2075 |
◊ |
3 |
-y,x-y,z |
2_555 |
6 |
3 |
2045 |
34.0 |
-0.7 |
0.473 |
0 |
0 |
0 |
0.009 |
209 |
|
U |
4 |
2 |
2100 |
◊ |
O |
x,y,z |
1_555 |
3 |
2 |
2029 |
33.1 |
-0.9 |
0.380 |
0 |
0 |
0 |
0.009 |
210 |
|
1 |
3 |
2 |
2018 |
◊ |
Y |
-y,x-y,z |
2_555 |
4 |
2 |
2073 |
32.1 |
-0.8 |
0.394 |
0 |
0 |
0 |
0.009 |
211 |
|
W |
3 |
2 |
2042 |
◊ |
Q |
x,y,z |
1_555 |
4 |
2 |
2116 |
28.1 |
-0.8 |
0.410 |
0 |
0 |
0 |
0.009 |
| Average: |
37.3 |
-0.8 |
0.440 |
0 |
0 |
0 |
0.009 |
| 32 |
212 |
|
I |
7 |
4 |
2098 |
◊ |
P |
x,y,z-1 |
1_554 |
4 |
2 |
2898 |
40.3 |
0.5 |
0.826 |
1 |
0 |
0 |
0.000 |
213 |
|
F |
3 |
1 |
2861 |
◊ |
W |
x,y,z-1 |
1_554 |
6 |
3 |
2042 |
37.0 |
0.4 |
0.822 |
1 |
0 |
0 |
0.000 |
214 |
|
4 |
2 |
1 |
2849 |
◊ |
1 |
x,y,z |
1_555 |
5 |
2 |
2018 |
26.8 |
0.5 |
0.845 |
1 |
0 |
0 |
0.000 |
215 |
|
E |
1 |
1 |
2065 |
◊ |
X |
x,y,z-1 |
1_554 |
2 |
1 |
2939 |
6.3 |
0.1 |
0.783 |
0 |
0 |
0 |
0.000 |
216 |
|
J |
2 |
1 |
2867 |
◊ |
O |
x,y,z-1 |
1_554 |
1 |
1 |
2029 |
3.8 |
0.1 |
0.768 |
0 |
0 |
0 |
0.000 |
| Average: |
22.8 |
0.3 |
0.809 |
1 |
0 |
0 |
0.000 |
| 33 |
217 |
|
[ZN]6:101 |
1 |
1 |
98 |
x |
6 |
x,y,z |
1_555 |
6 |
2 |
2962 |
40.0 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.578 |
218 |
|
[ZN]2:101 |
1 |
1 |
98 |
x |
2 |
x,y,z |
1_555 |
7 |
2 |
2911 |
39.5 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.578 |
219 |
|
[ZN]4:101 |
1 |
1 |
98 |
x |
4 |
x,y,z |
1_555 |
8 |
3 |
2849 |
38.3 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.578 |
220 |
|
[ZN]Z:101 |
1 |
1 |
98 |
x |
Z |
x,y,z |
1_555 |
7 |
2 |
2821 |
38.3 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.578 |
221 |
|
[ZN]P:101 |
1 |
1 |
98 |
x |
P |
x,y,z |
1_555 |
7 |
2 |
2898 |
27.5 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.578 |
222 |
|
[ZN]D:101 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
6 |
2 |
2961 |
27.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.578 |
223 |
|
[ZN]P:101 |
1 |
1 |
98 |
x |
T |
x,y,z |
1_555 |
6 |
2 |
2929 |
27.0 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.578 |
224 |
|
[ZN]D:101 |
1 |
1 |
98 |
x |
L |
x,y,z |
1_555 |
6 |
2 |
2942 |
26.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.578 |
225 |
|
[ZN]D:101 |
1 |
1 |
98 |
x |
H |
x,y,z |
1_555 |
6 |
2 |
2951 |
26.8 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.578 |
226 |
|
[ZN]P:101 |
1 |
1 |
98 |
x |
X |
x,y,z |
1_555 |
7 |
2 |
2939 |
26.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.578 |
227 |
|
[ZN]B:101 |
1 |
1 |
98 |
x |
F |
x,y,z |
1_555 |
6 |
2 |
2861 |
25.9 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.578 |
228 |
|
[ZN]B:101 |
1 |
1 |
98 |
x |
J |
x,y,z |
1_555 |
7 |
2 |
2867 |
25.6 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.578 |
229 |
|
[ZN]N:101 |
1 |
1 |
98 |
x |
R |
x,y,z |
1_555 |
6 |
2 |
2793 |
25.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.578 |
230 |
|
[ZN]B:101 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
6 |
2 |
2881 |
25.3 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.578 |
231 |
|
[ZN]N:101 |
1 |
1 |
98 |
x |
V |
x,y,z |
1_555 |
7 |
2 |
2810 |
25.2 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.578 |
232 |
|
[ZN]N:101 |
1 |
1 |
98 |
x |
N |
x,y,z |
1_555 |
7 |
2 |
2827 |
25.1 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.578 |
| Average: |
29.4 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.578 |
| 34 |
233 |
|
[CL]Z:102 |
1 |
1 |
125 |
f |
[ZN]Z:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.3 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.172 |
| 35 |
234 |
|
[CL]2:102 |
1 |
1 |
125 |
f |
[ZN]2:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.163 |
| 36 |
235 |
|
[CL]6:102 |
1 |
1 |
125 |
f |
[ZN]6:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.154 |
| 37 |
236 |
|
[CL]4:102 |
1 |
1 |
125 |
f |
[ZN]4:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.157 |
| 38 |
237 |
|
A |
4 |
2 |
2067 |
◊ |
W |
x,y,z-1 |
1_554 |
3 |
2 |
2042 |
32.7 |
0.4 |
0.775 |
1 |
0 |
0 |
0.000 |
238 |
|
I |
3 |
2 |
2098 |
◊ |
S |
x,y,z-1 |
1_554 |
4 |
2 |
2007 |
26.5 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
| Average: |
29.6 |
0.2 |
0.726 |
1 |
0 |
0 |
0.000 |
| 39 |
239 |
|
[CRS]1:101 |
3 |
1 |
261 |
f |
Z |
-y,x-y,z |
2_555 |
3 |
1 |
2821 |
31.7 |
0.5 |
0.159 |
0 |
0 |
0 |
0.000 |
240 |
|
[CRS]O:101 |
3 |
1 |
258 |
f |
V |
x,y,z |
1_555 |
5 |
1 |
2810 |
30.7 |
0.4 |
0.192 |
0 |
0 |
0 |
0.000 |
241 |
|
[CRS]U:101 |
2 |
1 |
260 |
f |
P |
x,y,z |
1_555 |
3 |
1 |
2898 |
27.2 |
0.4 |
0.238 |
0 |
0 |
0 |
0.000 |
242 |
|
[CRS]G:101 |
1 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
2881 |
27.0 |
0.3 |
0.489 |
0 |
0 |
0 |
0.000 |
243 |
|
[CRS]W:101 |
2 |
1 |
258 |
f |
R |
x,y,z |
1_555 |
3 |
1 |
2793 |
27.0 |
0.4 |
0.291 |
0 |
0 |
0 |
0.000 |
244 |
|
[CRS]Q:101 |
2 |
1 |
262 |
f |
X |
x,y,z |
1_555 |
2 |
1 |
2939 |
26.8 |
0.4 |
0.201 |
0 |
0 |
0 |
0.000 |
245 |
|
2 |
3 |
1 |
2911 |
f |
[CRS]Y:101 |
-y,x-y,z |
2_555 |
2 |
1 |
261 |
26.6 |
0.5 |
0.247 |
0 |
0 |
0 |
0.000 |
246 |
|
[CRS]5:101 |
1 |
1 |
258 |
f |
4 |
-y,x-y,z |
2_555 |
2 |
1 |
2849 |
26.3 |
0.3 |
0.469 |
0 |
0 |
0 |
0.000 |
247 |
|
[CRS]C:101 |
1 |
1 |
262 |
f |
J |
x,y,z |
1_555 |
2 |
1 |
2867 |
25.8 |
0.3 |
0.494 |
0 |
0 |
0 |
0.000 |
248 |
|
[CRS]K:101 |
1 |
1 |
262 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
2861 |
24.8 |
0.3 |
0.509 |
0 |
0 |
0 |
0.000 |
249 |
|
[CRS]M:101 |
2 |
1 |
257 |
f |
T |
x,y,z |
1_555 |
3 |
1 |
2929 |
24.0 |
0.3 |
0.334 |
0 |
0 |
0 |
0.000 |
250 |
|
[CRS]I:101 |
1 |
1 |
260 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
2961 |
23.1 |
0.4 |
0.339 |
0 |
0 |
0 |
0.000 |
| Average: |
26.8 |
0.4 |
0.330 |
0 |
0 |
0 |
0.000 |
| 40 |
251 |
|
1 |
3 |
2 |
2018 |
◊ |
3 |
-y,x-y,z |
2_555 |
3 |
2 |
2045 |
29.8 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
252 |
|
E |
2 |
2 |
2065 |
◊ |
O |
x,y,z-1 |
1_554 |
2 |
2 |
2029 |
9.5 |
-0.0 |
0.647 |
0 |
0 |
0 |
0.000 |
| Average: |
19.6 |
0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
| 41 |
253 |
|
U |
2 |
1 |
2100 |
◊ |
B |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
5 |
1 |
2881 |
29.6 |
0.1 |
0.761 |
0 |
0 |
0 |
0.000 |
254 |
|
F |
6 |
1 |
2861 |
◊ |
Y |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
2 |
1 |
2073 |
25.5 |
0.3 |
0.804 |
0 |
0 |
0 |
0.000 |
255 |
|
4 |
5 |
1 |
2849 |
◊ |
Q |
x,y,z |
1_555 |
2 |
1 |
2116 |
23.9 |
0.1 |
0.755 |
0 |
0 |
0 |
0.000 |
256 |
|
M |
1 |
1 |
2105 |
◊ |
J |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
5 |
1 |
2867 |
17.5 |
-0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
| Average: |
24.1 |
0.1 |
0.767 |
0 |
0 |
0 |
0.000 |
| 42 |
257 |
|
[CRS]S:101 |
1 |
1 |
260 |
f |
N |
x,y,z |
1_555 |
2 |
1 |
2827 |
27.2 |
0.5 |
0.443 |
0 |
0 |
0 |
0.000 |
| 43 |
258 |
|
[CRS]A:101 |
1 |
1 |
260 |
f |
H |
x,y,z |
1_555 |
2 |
1 |
2951 |
26.0 |
0.5 |
0.430 |
0 |
0 |
0 |
0.000 |
259 |
|
[CRS]E:101 |
1 |
1 |
261 |
f |
L |
x,y,z |
1_555 |
1 |
1 |
2942 |
25.8 |
0.4 |
0.289 |
0 |
0 |
0 |
0.000 |
| Average: |
25.9 |
0.4 |
0.359 |
0 |
0 |
0 |
0.000 |
| 44 |
260 |
|
L |
4 |
2 |
2942 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
2105 |
25.9 |
-0.2 |
0.503 |
0 |
0 |
0 |
0.000 |
261 |
|
H |
4 |
2 |
2951 |
◊ |
U |
x,y,z |
1_555 |
2 |
1 |
2100 |
23.7 |
-0.1 |
0.528 |
0 |
0 |
0 |
0.000 |
262 |
|
D |
3 |
2 |
2961 |
◊ |
Q |
x,y,z |
1_555 |
2 |
1 |
2116 |
23.6 |
-0.1 |
0.545 |
0 |
0 |
0 |
0.000 |
263 |
|
Y |
2 |
1 |
2073 |
◊ |
6 |
x,y,z-1 |
1_554 |
5 |
2 |
2962 |
23.5 |
-0.0 |
0.557 |
0 |
0 |
0 |
0.000 |
264 |
|
V |
4 |
2 |
2810 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
2086 |
15.1 |
0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
265 |
|
N |
2 |
2 |
2827 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
2090 |
11.9 |
0.1 |
0.706 |
0 |
0 |
0 |
0.000 |
266 |
|
Z |
3 |
2 |
2821 |
◊ |
5 |
x,y,z-1 |
1_554 |
2 |
1 |
2075 |
10.8 |
0.1 |
0.706 |
0 |
0 |
0 |
0.000 |
267 |
|
R |
2 |
2 |
2793 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
2069 |
8.0 |
0.1 |
0.730 |
0 |
0 |
0 |
0.000 |
| Average: |
17.8 |
0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
| 45 |
268 |
|
M |
3 |
1 |
2105 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
2090 |
25.4 |
-0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
269 |
|
Q |
1 |
1 |
2116 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
2069 |
23.3 |
0.2 |
0.639 |
0 |
0 |
0 |
0.000 |
270 |
|
U |
3 |
1 |
2100 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
2086 |
22.3 |
-0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
271 |
|
Y |
1 |
1 |
2073 |
◊ |
5 |
x,y,z-1 |
1_554 |
1 |
1 |
2075 |
6.3 |
-0.2 |
0.399 |
0 |
0 |
0 |
0.000 |
| Average: |
19.3 |
-0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
| 46 |
272 |
|
E |
4 |
2 |
2065 |
◊ |
X |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
3 |
1 |
2939 |
24.9 |
0.3 |
0.782 |
0 |
0 |
0 |
0.000 |
273 |
|
I |
2 |
1 |
2098 |
◊ |
T |
-x+y+2/3,-x+1/3,z-2/3 |
6_554 |
2 |
1 |
2929 |
17.8 |
0.3 |
0.773 |
0 |
0 |
0 |
0.000 |
274 |
|
P |
3 |
1 |
2898 |
◊ |
3 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
2 |
1 |
2045 |
7.5 |
0.2 |
0.752 |
0 |
0 |
0 |
0.000 |
275 |
|
2 |
1 |
1 |
2911 |
◊ |
A |
-y,x-y,z |
2_555 |
2 |
1 |
2067 |
5.3 |
0.1 |
0.737 |
0 |
0 |
0 |
0.000 |
| Average: |
13.9 |
0.2 |
0.761 |
0 |
0 |
0 |
0.000 |
| 47 |
276 |
|
6 |
1 |
1 |
2962 |
f |
[CRS]3:101 |
-y,x-y,z |
2_555 |
1 |
1 |
261 |
24.6 |
0.4 |
0.317 |
0 |
0 |
0 |
0.000 |
| 48 |
277 |
|
[CL]P:102 |
1 |
1 |
125 |
f |
[ZN]P:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.2 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.147 |
| 49 |
278 |
|
[CL]F:101 |
1 |
1 |
125 |
f |
[ZN]B:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.2 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.153 |
| 50 |
279 |
|
[CL]N:102 |
1 |
1 |
125 |
f |
[ZN]N:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.2 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.155 |
| 51 |
280 |
|
[CL]D:102 |
1 |
1 |
125 |
f |
[ZN]D:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.145 |
| 52 |
281 |
|
Z |
1 |
1 |
2821 |
◊ |
6 |
x,y,z-1 |
1_554 |
3 |
1 |
2962 |
17.0 |
0.3 |
0.842 |
0 |
0 |
0 |
0.000 |
282 |
|
R |
3 |
1 |
2793 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
2961 |
15.6 |
0.3 |
0.817 |
0 |
0 |
0 |
0.000 |
283 |
|
V |
3 |
1 |
2810 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
2951 |
12.8 |
0.3 |
0.806 |
0 |
0 |
0 |
0.000 |
284 |
|
N |
2 |
1 |
2827 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
2942 |
12.5 |
0.3 |
0.824 |
0 |
0 |
0 |
0.000 |
| Average: |
14.5 |
0.3 |
0.822 |
0 |
0 |
0 |
0.000 |
| 53 |
285 |
|
6 |
1 |
1 |
2962 |
◊ |
Q |
-y,x-y,z |
2_555 |
2 |
1 |
2116 |
12.4 |
0.1 |
0.740 |
0 |
0 |
0 |
0.000 |
286 |
|
L |
1 |
1 |
2942 |
◊ |
Y |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
2 |
1 |
2073 |
11.6 |
0.2 |
0.766 |
0 |
0 |
0 |
0.000 |
287 |
|
U |
2 |
1 |
2100 |
◊ |
H |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
2951 |
11.5 |
0.2 |
0.754 |
0 |
0 |
0 |
0.000 |
288 |
|
M |
2 |
1 |
2105 |
◊ |
D |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
1 |
1 |
2961 |
9.7 |
0.1 |
0.751 |
0 |
0 |
0 |
0.000 |
| Average: |
11.3 |
0.2 |
0.753 |
0 |
0 |
0 |
0.000 |
| 54 |
289 |
|
G |
1 |
1 |
2086 |
◊ |
W |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
1 |
1 |
2042 |
9.0 |
0.2 |
0.811 |
0 |
0 |
0 |
0.000 |
| 55 |
290 |
|
6 |
1 |
1 |
2962 |
◊ |
R |
-y,x-y,z |
2_555 |
2 |
2 |
2793 |
5.6 |
0.1 |
0.757 |
0 |
0 |
0 |
0.000 |
291 |
|
V |
1 |
1 |
2810 |
◊ |
H |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
2951 |
3.6 |
0.1 |
0.663 |
0 |
0 |
0 |
0.000 |
| Average: |
4.6 |
0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
|